(1S)-2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: (1S)-2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: (1S)-2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: (1S)-2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate IUPAC Name: (1S)-2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: (1S)-2-piazthiol-4-ylsulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Formula: C16H12N3O4S2- MolecularWeight: 374.41418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)C(=O)[O-])S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN([C@@H](C2=CC=CC=C21)C(=O)[O-])S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C16H13N3O4S2/c20-16(21)15-11-5-2-1-4-10(11)8-9-19(15)25(22,23)13-7-3-6-12-14(13)18-24-17-12/h1-7,15H,8-9H2,(H,20,21)/p-1/t15-/m0/s1